Crystallography Open Database

Information card for entry 7000391

Preview

Coordinates	7000391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 Co I2 O P
Calculated formula	C25 H22 Co I2 O P
SMILES	I[Co]1234(I)([P](CC(=O)c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45
Title of publication	Synthesis and characterization of Co and Ni complexes stabilized by keto- and acetamide-derived P,O-type phosphine ligands
Authors of publication	Agostinho, Magno; Rosa, Vitor; Avilés, Teresa; Welter, Richard; Braunstein, Pierre
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	5
Pages of publication	814 - 822
a	10.274 ± 0.0002 Å
b	8.192 ± 0.0001 Å
c	28.072 ± 0.0006 Å
α	90°
β	94.926 ± 0.0008°
γ	90°
Cell volume	2353.94 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179681 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/03.	7000391.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000391.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000391.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000391.cif